SCHEMBL11054808

SCHEMBL11054808

CC(C)(C)NC(=O)NC(=N)Nc1cccc(Br)c1Br

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ PDGFRB P09619 2/20 0.35
▸ FGFR1 P11362 2/20 0.35
▸ SRC P12931 2/20 0.35
▸ PDGFRA P16234 2/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TSHR P16473 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11051039 0.89 HTT (0.49) MEN1KMT2AMAPK1RAB9ANPC1
SCHEMBL11257947 0.88 MAPK1 (0.43) MEN1KMT2AMAPK1RAB9ANPC1
SCHEMBL11050083 0.86 MAPK1 (0.55) MEN1KMT2AMAPK1RAB9ANPC1
SCHEMBL11052110 0.86 MEN1 (0.55) MEN1KMT2AMAPK1RAB9ANPC1
SCHEMBL11054793 0.84 NPC1 (0.44) MEN1KMT2AMAPK1RAB9ANPC1
SCHEMBL11578638 0.80 KMT2A (0.40) MEN1KMT2AMAPK1RAB9ANPC1
SCHEMBL11052138 0.80 KMT2A (0.40) MEN1KMT2AMAPK1RAB9ANPC1
SCHEMBL11056090 0.78 NPC1 (0.39) MEN1KMT2AMAPK1RAB9ANPC1
SCHEMBL11056782 0.78 MAPK1 (0.48) MEN1KMT2AMAPK1RAB9ANPC1
SCHEMBL11049769 0.78 RAB9A (0.54) MEN1KMT2AMAPK1RAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4488993-A Amidinoureas WILLIAM H. RORER, INC. 1984-12-18 — — US disclosed
US-4220658-A Treatment of hypertension with amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-02 — — US disclosed
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 — — US disclosed
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